Search results for: molecular dynamic

Authors: Moustafa Osman Mohammed

Abstract:

This paper introduces Luhmann’s autopoietic social systems starting with the original concept of autopoiesis by biologists and scientists, including the modification of general systems based on socialized medicine. A specific type of autopoietic system is explained in the three existing groups of the ecological phenomena: interaction, social and medical sciences. This hypothesis model, nevertheless, has a nonlinear interaction with its natural environment ‘interactional cycle’ for the exchange of photon energy with molecular without any changes in topology. The external forces in the systems environment might be concomitant with the natural fluctuations’ influence (e.g. radioactive radiation, electromagnetic waves). The cantilever sensor deploys insights to the future chip processor for prevention of social metabolic systems. Thus, the circuits with resonant electric and optical properties are prototyped on board as an intra–chip inter–chip transmission for producing electromagnetic energy approximately ranges from 1.7 mA at 3.3 V to service the detection in locomotion with the least significant power losses. Nowadays, therapeutic systems are assimilated materials from embryonic stem cells to aggregate multiple functions of the vessels nature de-cellular structure for replenishment. While, the interior actuators deploy base-pair complementarity of nucleotides for the symmetric arrangement in particular bacterial nanonetworks of the sequence cycle creating double-stranded DNA strings. The DNA strands must be sequenced, assembled, and decoded in order to reconstruct the original source reliably. The design of exterior actuators have the ability in sensing different variations in the corresponding patterns regarding beat-to-beat heart rate variability (HRV) for spatial autocorrelation of molecular communication, which consists of human electromagnetic, piezoelectric, electrostatic and electrothermal energy to monitor and transfer the dynamic changes of all the cantilevers simultaneously in real-time workspace with high precision. A prototype-enabled dynamic energy sensor has been investigated in the laboratory for inclusion of nanoscale devices in the architecture with a fuzzy logic control for detection of thermal and electrostatic changes with optoelectronic devices to interpret uncertainty associated with signal interference. Ultimately, the controversial aspect of molecular frictional properties is adjusted to each other and forms its unique spatial structure modules for providing the environment mutual contribution in the investigation of mass temperature changes due to pathogenic archival architecture of clusters.

Keywords: autopoiesis, nanoparticles, quantum photonics, portable energy, photonic structure, photodynamic therapeutic system

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Authors: Vaibhav Rana, Nicholas Balaresque

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The 3-cup anemometer is the most commonly used instrument for wind speed measurement and, consequently, for the wind resource assessment. Though the cup anemometer shows accurate measurement under quasi-static conditions, there is uncertainty in the measurement when subjected to field measurement. Sensitivity to the angle of attacks with respect to horizontal plane, dynamic response, and non-linear behavior in calibration due to friction. The presented work aimed to identify the sensitivity of anemometer to non-horizontal flow. The cup anemometer was investigated under low wind speed wind tunnel, first under the static flow direction changes and second under the dynamic direction changes, at a different angle of attacks, under the similar conditions of reference wind tunnel speeds. The cup anemometer response under both conditions was evaluated and compared. The results showed the anemometer under dynamic wind direction changes is highly sensitive compared to static conditions.

Keywords: wind energy, cup anemometer, directional sensitivity, dynamic behavior, wind tunnel

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Authors: G. Tamulevičius, A. Serackis, T. Sledevič, D. Navakauskas

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We consider the biggest challenge in speech recognition – noise reduction. Traditionally detected transient noise pulses are removed with the corrupted speech using pulse models. In this paper we propose to cope with the problem directly in Dynamic Time Warping domain. Bidirectional Dynamic Time Warping algorithm for the recognition of isolated words impacted by transient noise pulses is proposed. It uses simple transient noise pulse detector, employs bidirectional computation of dynamic time warping and directly manipulates with warping results. Experimental investigation with several alternative solutions confirms effectiveness of the proposed algorithm in the reduction of impact of noise on recognition process – 3.9% increase of the noisy speech recognition is achieved.

Keywords: transient noise pulses, noise reduction, dynamic time warping, speech recognition

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Authors: Kun-Peng Jin, Jin Liang, Ti-Jun Xiao

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In this work, we are concerned with the dynamic behaviors of solutions to some coupled systems with infinite memory, which consist of two partial differential equations where only one partial differential equation has damping. Such coupled systems are good mathematical models to describe the deformation and stress characteristics of some viscoelastic materials affected by temperature change, external forces, and other factors. By using the theory of operator semigroups, we give wellposedness results for the Cauchy problem for these coupled systems. Then, with the help of some auxiliary functions and lemmas, which are specially designed for overcoming difficulties in the proof, we show that the solutions of the coupled systems decay to zero in a strong way under a few basic conditions. The results in this dynamic analysis of coupled systems are generalizations of many existing results.

Keywords: dynamic analysis, coupled system, infinite memory, damping.

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Authors: Hiroyuki Aoki

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The physical properties of polymer materials are dependent on the conformation and molecular motion of a polymer chain. Therefore, the structure and dynamic behavior of the single polymer chain have been the most important concerns in the field of polymer physics. However, it has been impossible to directly observe the conformation of the single polymer chain in a bulk medium. In the current work, the novel techniques to study the conformation and dynamics of a single polymer chain are proposed. Since a fluorescence method is extremely sensitive, the fluorescence microscopy enables the direct detection of a single molecule. However, the structure of the polymer chain as large as 100 nm cannot be resolved by conventional fluorescence methods because of the diffraction limit of light. In order to observe the single chains, we developed the labeling method of polymer materials with a photo-switchable dye and the super-resolution microscopy. The real-space conformational analysis of single polymer chains with the spatial resolution of 15-20 nm was achieved. The super-resolution microscopy enables us to obtain the three-dimensional coordinates; therefore, we succeeded the conformational analysis in three dimensions. The direct observation by the nanometric optical microscopy would reveal the detailed information on the molecular processes in the various polymer systems.

Keywords: polymer materials, single molecule, super-resolution techniques, conformation

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Authors: Hafiz Md. HasanBabu, Khandaker Mohammad Mohi Uddin, Md. IstiakJaman Ami, Rahat Hossain Faisal

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Computing in biomolecular programming performs through the different types of reactions. Proteins and nucleic acids are used to store the information generated by biomolecular programming. DNA (Deoxyribose Nucleic Acid) can be used to build a molecular computing system and operating system for its predictable molecular behavior property. The DNA device has clear advantages over conventional devices when applied to problems that can be divided into separate, non-sequential tasks. The reason is that DNA strands can hold so much data in memory and conduct multiple operations at once, thus solving decomposable problems much faster. Programmable Logic Array, abbreviated as PLA is a programmable device having programmable AND operations and OR operations. In this paper, a DNA PLA is designed by different molecular operations using DNA molecules with the proposed algorithms. The molecular PLA could take advantage of DNA's physical properties to store information and perform calculations. These include extremely dense information storage, enormous parallelism, and extraordinary energy efficiency.

Keywords: biological systems, DNA computing, parallel computing, programmable logic array, PLA, DNA

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Authors: Yaowen Sheng, Jiuxian Liu

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In order to analyze the pedestrian bridge dynamic characteristics and degree of comfortability, the finite element method and live load time history method is used to calculate the dynamic response of the bridge. The example bridge’s dynamic characteristics and degree of human comfortability need to be analyzed. The project background is a three-way intersection. The intersection has three side blocks. An intersection bridge is designed to help people cross the streets. The finite element model of the bridge is established by the Midas/Civil software, and the analysis of the model is done. The strength, stiffness, and stability checks are also completed. Apart from the static analysis of the bridge, the dynamic analysis of the bridge is also completed to avoid the problems resulted from vibrations. The results show that the pedestrian bridge has different dynamic characteristics compared to other normal bridges. The degree of human comfortability satisfies the requirements of Chinese and British specifications. The live load time history method can be used to calculate the dynamic response of the bridge.

Keywords: pedestrian bridge, steel box girder, human-induced vibration, finite element analysis, degree of human comfortability

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Authors: Vigen Barkhudaryan

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The influence of external effects (γ-, UV–radiations, high temperature) in presence of air oxygen on structural transformations of low-density polyethylene (LDPE) have been investigated dependent on the polymers’ thickness, the intensity and the dose of external actions. The methods of viscosimetry, light scattering, turbidimetry and gelation measuring were used for this purpose. The comparison of influence of external effects on LDPE shows, that the destruction and cross-linking processes of macromolecules proceed simultaneously with all kinds of external effects. A remarkable growth of average molecular mass of LDPE along with the irradiation doses and heat treatment exposure growth was established. It was linear for the mass average molecular mass and at the initial doses is mainly the result of the increase of the macromolecular branching. As a result, the macromolecular hydrodynamic volumes have been changed, and therefore the dependence of viscosity average molecular mass on the doses was going through the minimum at initial doses. A significant change of molecular mass, sizes and shape of macromolecules of LDPE occurs under the influence of external effects. The influence is limited only by diffusion of oxygen during -irradiation and heat treatment. At UV–irradiation the influence is limited both by diffusion of oxygen and penetration of radiation. Consequently, the molecular transformations are deeper and evident in case of -irradiation, as soon as the polymer is transformed in a whole volume. It was also established, that the mechanism of molecular transformations in polymers from the surface layer distinctly differs from those of the sample deeper layer. A comparison of the results of these investigations allows us to conclude, that the mechanisms of influence of investigated external effects on polyethylene are similar.

Keywords: cross-linking, destruction, high temperature, LDPE, γ-radiations, UV-radiations

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Authors: Asho Ali

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Tuberculosis is a disease of grave concern which infects one-third of the global population. The high incidence of tuberculosis is further compounded by the increasing emergence of drug resistant strains including multi drug resistant (MDR). Global incidence MDR-TB is ~4%. Molecular epidemiological studies, based on the assumption that patients infected with clustered strains are epidemiologically linked, have helped understand the transmission dynamics of disease. It has also helped to investigate the basis of variation in Mycobacterium tuberculosis (MTB) strains, differences in transmission, and severity of disease or drug resistance mechanisms from across the globe. This has helped in developing strategies for the treatment and prevention of the disease including MDR.

Keywords: Mycobcaterium tuberculosis, molecular epidemiology, drug resistance, disease

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Authors: Yassine Sadji

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Some architectural conditions required some shapes often lead to an irregular distribution of masses, rigidities, and resistances. The main object of the present study consists in estimating the influence of the irregularity both in plan and in elevation which presenting some structures on the dynamic characteristics and his influence on the behavior of this structures. To do this, it is necessary to make apply both dynamic methods proposed by the RPA99 (spectral modal method and method of analysis by accélérogramme) on certain similar prototypes and to analyze the parameters measuring the answer of these structures and to proceed to a comparison of the results.

Keywords: irregularity, seismic, response, structure, ductility

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Authors: A. Zanj, F. He

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In the current paper, a domain independent conduction model compatible for multi-physical system dynamic investigations is suggested. By means of a port-based approach, a classical nonlinear conduction model containing physical states is first represented. A compatible discrete configuration of the thermal domain in line with the elastic domain is then generated through the enhancement of the configuration of the conventional thermal element. The presented simulation results of a sample structure indicate that the suggested conductive model can cover a wide range of dynamic behavior of the thermal domain.

Keywords: multi-physical domain, conduction model, port based modeling, dynamic interaction, physical modeling

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Authors: Abdulwahab Kammon, Tan Sheau Wei, Abdul Rahman Omar, Abdunaser Dayhum, Ibrahim Eldghayes, Monier Sharif

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Infectious bronchitis virus (IBV) is a very dynamic and evolving virus which causing major economic losses to the global poultry industry. Recently, the Libyan poultry industry faced severe outbreak of respiratory distress associated with high mortality and dramatic drop in egg production. Tracheal and cloacal swabs were analyzed for several poultry viruses. IBV was detected using SYBR Green I real-time PCR detection based on the nucleocapsid (N) gene. Sequence analysis of the partial N gene indicated high similarity (~ 94%) to IBV strain 3382/06 that was isolated from Taiwan. Even though the IBV strain 3382/06 is more similar to that of the Mass type H120, the isolate has been implicated associated with intertypic recombinant of 3 putative parental IBV strains namely H120, Taiwan strain 1171/92 and China strain CK/CH/LDL/97I. Complete sequencing and antigenicity studies of the Libya IBV strains are currently underway to determine the evolution of the virus and its importance in vaccine induced immunity. In this paper, we documented for the first time the presence of possibly variant IBV strain from Libya which required a dramatic change in the vaccination program.

Keywords: Libya, infectious bronchitis, molecular characterization, viruses, vaccine

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Authors: Xiaofei Hu, Zhiyu Cai, Weian Yao

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V-notch problem under dynamic loading condition is considered in this paper. In the time domain, the precise time domain expanding algorithm is employed, in which a self-adaptive technique is carried out to improve computing accuracy. By expanding variables in each time interval, the recursive finite element formulas are derived. In the space domain, a Symplectic Analytical Singular Element (SASE) for V-notch problem is constructed addressing the stress singularity of the notch tip. Combining with the conventional finite elements, the proposed SASE can be used to solve the dynamic stress intensity factors (DSIFs) in a simple way. Numerical results show that the proposed SASE for V-notch problem subjected to dynamic loading condition is effective and efficient.

Keywords: V-notch, dynamic stress intensity factor, finite element method, precise time domain expanding algorithm

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Authors: Salem El-Tohami Ashoor

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A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH2)3NAr)}2-((ηn-Cp)Cp)} (Ar = 2,6-Pri2C6H3)(Cp = C5H5 and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions. The optimised of [V(ArN(CH2)3NAr)2Cl(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH2)3NAr)2Cl(η1-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: vanadium (IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO

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Authors: Yaru Meng

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The study contributes to the small but growing literature around computerized approaches to dynamic assessment (C-DA), wherein individual items are accompanied by mediating prompts. Mediation in the current computerized dynamic listening assessment (CDLA) was informed by an attribute-based mediation model (AMM) that identified the underlying L2 listening cognitive abilities and associated descriptors. The AMM served to focus mediation during C-DA on particular cognitive abilities with a goal of specifying areas of learner difficulty. 86 low-intermediate L2 English learners from a university in China completed three listening assessments, with an experimental group receiving the CLDA system and a control group a non-dynamic assessment. As an assessment, the use of the AMM in C-DA generated detailed diagnoses for each learner. In addition, both within- and between-group repeated ANOVA found greater gains at the level of specific attributes among C-DA learners over the course of a 5-week study. Directions for future research are discussed.

Keywords: computerized dynamic assessment, effectiveness, English as foreign language listening, attribute-based mediation model

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Authors: Yang Luo, Beibei Wang

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In this paper, we present a design methodology of lightweight register transfer level (RTL) hardware threat implemented based on a MAX II FPGA platform. The dynamic power consumed by the toggling of the various bit of registers as well as the dynamic power consumed per unit of logic circuits were analyzed. The hardware threat was designed taking advantage of the differences in dynamic power consumed per unit of logic circuits to hide the transfer information. The experiment result shows that the register hardware threat was successfully implemented by using different dynamic power consumed per unit of logic circuits to hide the key information of DES encryption module. It needs more than 100000 sample curves to reduce the background noise by comparing the sample space when it completely meets the time alignment requirement. In additional, an external trigger signal is playing a very important role to detect the hardware threat in this experiment.

Keywords: side-channel analysis, hardware Trojan, register transfer level, dynamic power

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Authors: Gkolfo I. Smani, Vasileios Megalooikonomou

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Social influence and influence diffusion have been studied in social networks. However, most existing tasks on this subject focus on static networks. In this paper, the problem of maximizing influence diffusion in dynamic social networks, i.e., the case of networks that change over time, is studied. The DM algorithm is an extension of the MATI algorithm and solves the influence maximization (IM) problem in dynamic networks and is proposed under the linear threshold (LT) and independent cascade (IC) models. Experimental results show that our proposed algorithm achieves a diffusion performance better by 1.5 times than several state-of-the-art algorithms and comparable results in diffusion scale with the Greedy algorithm. Also, the proposed algorithm is 2.4 times faster than previous methods.

Keywords: influence maximization, dynamic social networks, diffusion, social influence, graphs

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Authors: Tabassum Husain, Shen Peng Li, Zhaolin Chen

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This paper evaluates the usability of 3D Guided Image Filtering to enhance the quality of short-time binned dynamic PET images by using MRI images. Guided image filtering is an edge-preserving filter proposed to enhance 2D images. The 3D filter is applied on 1 and 5-minute binned images. The results are compared with 15-minute binned images and the Gaussian filtering. The guided image filter enhances the quality of dynamic PET images while also preserving important information of the voxels.

Keywords: dynamic PET images, guided image filter, image enhancement, information preservation filtering

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Authors: N. Dumitru, S. Dumitru, C. Copilusi, N. Ploscaru

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On this research, experimental analyses have been performed in order to determine the oil pump mechanism dynamics and stability from an oil unit mechanical structure. The experimental tests were focused on the vibrations which occur inside of the rod element during functionality of the oil pump unit. The oil pump mechanism dynamic parameters were measured and also determined through numerical computations. Entire research is based on the oil pump unit mechanical system virtual prototyping. For a complete analysis of the mechanism, the frequency dynamic response was identified, mainly for the mechanism driven element, based on two methods: processing and virtual simulations with MSC Adams aid and experimental analysis. In fact, through this research, a complete methodology is presented where numerical simulations of a mechanism with deformed elements are developed on a dynamic mode and these can be correlated with experimental tests.

Keywords: modal dynamic analysis, oil pump, vibrations, flexible elements, frequency response

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Authors: Galu Papy Yuma

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This paper presents a new dynamic simulation of a power system consisting of four machines equipped with the Generalized Unified Power Flow Controller (GUPFC) to improve power system stability. The dynamic simulation of the GUPFC consists of one shunt converter and two series converters based on voltage source converter, and DC link capacitor installed in the power system. MATLAB/Simulink is used to arrange the dynamic simulation of the GUPFC, where the power system is simulated in order to investigate the impact of the controller on power system oscillation damping and to show the simulation program reliability. The Improved Chaotic- Harmony Search (IC-HS) Algorithm is used to provide the parameter controller in order to lead-lag compensation design. The results obtained by simulation show that the power system with four machines is suitable for stability analysis. The use of GUPFC and IC-HS Algorithm provides the excellent capability in fast damping of power system oscillations and improve greatly the dynamic stability of the power system.

Keywords: GUPFC, IC-HS algorithm, Matlab/Simulink, damping oscillation

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Authors: T. Rajamäki

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In clean room environment molecular contamination in very small concentrations can cause significant harm for the components and processes. This is commonly referred as airborne molecular contamination (AMC). There is a shortage of high sensitivity continuous measurement data for existence and behavior of several of these contaminants. Accordingly, in most cases correlation between concentration of harmful molecules and their effect on processes is not known. In addition, the formation and distribution of contaminating molecules are unclear. In this work sensitive optical techniques are applied in clean room facilities for investigation of concentrations, forming mechanisms and effects of contaminating molecules. Special emphasis is on reactive acid and base gases ammonia (NH3) and hydrogen fluoride (HF). They are the key chemicals in several operations taking place in clean room processes.

Keywords: AMC, clean room, concentration, reactive gas

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Authors: Mosaab A. Omara, Layla O. Elmajdoubb, Mohammad Saleh Al-Aboodyc, Ahmed ElSifyd, Ahmed O. Elkhtamd

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The aim of this study is to present the molecular characterization of cysticercus tenuicolis of Taenia hydatigena from livestock isolates in Egypt, using the amplification of sequencing of the mt-CO1 gene. We introduce a detailed image of the Cysticercus tenuicolis infection in ruminant animals in Upper Egypt. Cysticercus tenuicolis inhabits such organs in ruminants as the omentum, viscera, and liver. In the present study, the infection rate of Cysticercus tenuicolis was found to be 16% and 19% in sheep and goat sample respectively. Firstly we report one larval stage of Taenia hydatigena detected in the camel liver in Egypt. Cysticercus tenuicolis infection manifested a higher prevalence in females than in males. Those above 2 years of age manifested a higher infection rate than younger animals. The preferred site for the infection was the omentum: a 70% preference in sheep and a 68% preference in goat samples. The molecular characterization using the mitochondrial cytochrome c oxidase subunit 1 (CO1) gene of isolates from sheep, goats and camels corresponded to T. hydatigena. For this study, molecular characterizations of T. hydatigena were done for the first time in Egypt. Molecular tools are of great assistance in characterizing the Cysticercus tenuicolis parasite especially when the morphological character cannot be detected because the metacestodes are frequently confused with infection by the Hydatid cyst, especially when these occur in the visceral organs. In the present study, Cysticercus tenuicolis manifested high identity in the goat and sheep samples, while differences were found more frequently in the camel samples (10 pairbase). Clearly molecular diagnosis for Cysticercus tenuicolis infection significantly helps to differentiate it from such other metacestodes.

Keywords: cysticercus tenuicolis, its2, genetic, qena, molecular and taenia hydatigena

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Authors: Yasser Gaber, Mohamed Ismail, Serena Bisagni, Mohamad Takwa, Rajni Hatti-Kaul

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Enzymes are safe and selective catalysts. They skillfully catalyze chemical reactions; however, the native form is not usually suitable for industrial applications. Enzymes are therefore engineered by several techniques to meet the required catalytic task. Clopidogrel is recorded among the five best selling pharmaceutical in 2010 under the brand name Plavix. The commonly used route for production of the drug on an industrial scale is the synthesis of the racemic mixture followed by diastereomeric resolution to obtain the pure S isomer. The process consumes a lot of solvents and chemicals. We have evaluated a biocatalytic cleaner approach for asymmetric hydrolysis of racemic clopidogrel. Initial screening of a selected number of hydrolases showed only one enzyme EST to exhibit activity and selectivity towards the desired stereoisomer. As the crude EST is a mixture of several isoenzymes, a homology model of EST-1 was used in molecular dynamic simulations to study the interaction of the enzyme with R and S isomers of clopidogrel. Analysis of the geometric hindrances of the tetrahedral intermediates revealed a potential site for mutagenesis in order to improve the activity and the selectivity. Single point mutation showed dramatic increase in activity and inversion of the enantioselectivity (400 fold change in E value).

Keywords: biocatalysis, biotechnology, enzyme, protein engineering, molecular modeling

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Authors: Somayeh Akrami, Vali-Allah Mozaffarian, Habib Onsori

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The studied region in this research, watershed Kuhkamar river, is about 112.66 square kilometers, it is located between 45º 48' 9" to 45º 2' 20" N and 38º 34' 15" to 38º 40' 28" E. The gained results of the studies on flora combinations, proved 287 plant species in 190 genera and 51 families. Asteracea with 49 and Lamiaceae with 27 plant species are the major plant families. Among collected species one interesting plant was found and determined as a new record Anemone narcissiflora L. for flora of Iran. This plant is known as a complex species that shows intraspecific speciation and is classified into about 12 subspecies and 10 varieties in world. To identify the infraspecies taxons of this species, in addition to morphological characteristics, the use of appropriate molecular markers for the better isolation of the individuals were needed.

Keywords: Anemone narcissiflora, floristic Study, kuhkamar, molecular marker

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Authors: Ahmed Guerine, Ali El Hafidi, Bruno Martin, Philippe Leclaire

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This paper investigates the nonlinear dynamic response of a mechanical torque limiter which is used to protect drive parts from overload (helical transmission gears). The system is driven by four excitations: two external excitations (aerodynamics torque and force) and two internal excitations (two mesh stiffness fluctuations). In this work, we develop a dynamic model with lumped components and 28 degrees of freedom. We use the Runge Kutta step-by-step time integration numerical algorithm to solve the equations of motion obtained by Lagrange formalism. The numerical results have allowed us to identify the sources of vibration in the wind turbine. Also, they are useful to help the designer to make the right design and correctly choose the times for maintenance.

Keywords: two-stage helical gear, lumped model, dynamic response, torque-limiter

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Authors: Son Nguyen, Thanh Van, Ly Le

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Ca2+ - dependent calmodulin kinase IIa (CaMKIIa) has recently been found to associate with protein tau missorting and polymerization in Alzheimer’s Disease (AD). However, there has yet inhibitors targeting CaMKIIa to investigate the correlation between CaMKIIa activity and protein tau polymer formation. Combining virtual screening and our statistics in binding contribution scoring function (BCSF), we rationally identified potential compounds that bind to specific CaMKIIa active site and specificity-affinity distribution of the ligand within the active site. Using molecular dynamics simulation, we identified structural stability of CaMKIIa and potent inhibitors, and site-directed bonding, separating non-specific and specific molecular interaction features. Despite of variation in confirmation of simulation time, interactions of the potent inhibitors were found to be strongly associated with the unique chemical features extracted from molecular binding poses. In addition, competitive inhibitors within CaMKIIa showed an important molecular recognition pattern toward specific ligand features. Our approach combining virtual screening with BCSF may provide an universally applicable method for precise identification in the discovery of compounds.

Keywords: Alzheimer’s disease, Ca 2+ -dependent calmodulin kinase IIa, protein tau, molecular docking

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Authors: Bahlouli Ahmed, Bentalab Nourdin, Nigrou Mourad

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This study was aimed at investigating the effect of orientation fiber reinforced on dynamic properties of laminate composite FRP. An experimental investigation is implemented using an impulse technique. The various specimens are excited in free vibration by the use of bi-channel Analyzer. The experimental results are compared by model of finite element analysis using ANSYS. The results studies (natural frequencies measurements, vibration mode, dynamic modulus and damping ratio) show that the effects of significant parameters such as lay-up and stacking sequence, boundary conditions and excitation place of accelerometer. These results are critically examined and discussed. The accuracy of these results is demonstrated by comparing results with those available in the literature.

Keywords: natural frequency, damping ratio, laminate composite, dynamic modulus

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Authors: Gong Kangming, Zhao Caiqi

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High-rise special-shaped structure, such as main frame structure of the statues, is one of the structure forms in irregular structure widely used. Due to the complex shape of the statue structure, with a large aspect ratio, its wind load value and the overall mechanical properties are very different from the high-rise buildings with the general rules. The paper taking a certain 48 meters high main frame structure of the statue located in Shuangyashan City, Heilongjiang Province, static and dynamic properties are analyzed by the finite element software. Through static and dynamic analysis, it got a number of useful conclusions that have a certain reference value for the analysis and design of the future similar structure.

Keywords: a Buddhism goddess Guanyin body, wind load, dynamic analysis, bolster, node design

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Authors: Aydin Teymourifar, Gurkan Ozturk

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In this paper, a new hybrid Hopfield neural network is proposed for the dynamic, flexible job shop scheduling problem. A new heuristic based and easy to implement energy function is designed for the Hopfield neural network, which penalizes the constraints violation and decreases makespan. Moreover, for enhancing the performance, several heuristics are integrated to it that achieve active, and non-delay schedules also, prevent early convergence of the neural network. The suggested algorithm that is designed as a generalization of the previous studies for the flexible and dynamic scheduling problems can be used for solving real scheduling problems. Comparison of the presented hybrid method results with the previous studies results proves its efficiency.

Keywords: dynamic flexible job shop scheduling, neural network, heuristics, constrained optimization

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Authors: Noppadon Sintuboon, Benjamas Sawatdipong, Anchalee Kongsuk

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This study was conducted to investigate the engineering parameters: compressional wave: Vp, shear wave: Vs, and density: ρ related to the dynamically geotechnical properties of soils compaction in the core of earth-filled dam located in northern part of Thailand by using multichannel analysis of surface wave (MASW) techniques. The Vp, Vs, and ρ from MASW were 1,624 - 1,649 m/s, 301-323 m/s, and 1,829 kg/m3, respectively. Those parameters were calculated to Poison’s ratio: ν (0.48), shear modulus: G (1.66 x 108 - 1.92 x 108 kg/m2), Vp/Vs ratio (5.10 – 5.39) and Standard Penetration Test (SPT) showing the dynamic characteristics of soil deformation and stress resulting from dynamic loads. The results of this study will be useful in primary evaluating the current condition and foundation of the dam and can be compared to the data from the laboratory in the future.

Keywords: earth-filled dam, MASW, dynamic elastic constant, shear wave

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